Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate

HCID 6478685CAS 31858-66-9

Grundinformationen

Standard-SMILES
COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O
InChIKey
ZPXRQFLATDNYSS-BJMVGYQFSA-N
Summenformel
C18H22O6
Durchschnittliche Molmasse
334,4 g/mol
Monoisotopische Masse
334,14163842

Namen und Bezeichner

Bevorzugter Name
Methyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate
IUPAC
methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Englischer Name
Methyl Mycophenolate (EP Impurity E)
Summenformel
C18H22O6
Molmasse
334.36

Namen und Synonyme

Methyl mycophenolate31858-66-9Mycophenolic Acid Methyl Ester0B5C0EG8E84-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, methyl ester, (4E)-DTXSID501112946Methyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoateMethyl (4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoateRefChem:1089204DTXCID70154454724243-40-1Methyl Mycophenolate (EP Impurity E)
Weitere Namen anzeigen
EP Impurity Emycophenolic EP Impurity EMycophenolate Mofetil EP IMP-EMethyl mycophenolate impurity EMycophenolate Mofetil Impurity EMethyl (4E)-6-(4-Hydroxy-6-methoxy-Methyl mycophenolate, 10 mM in DMSO
(E/Z)-Methyl mycophenolateMycophenolate Mofetil EP Impurity EMycophenolate methyl estermethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateCHEMBL237760(E)-Methyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoatemethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate(E)-methyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate

Datenbank-Bezeichner

CAS
31858-66-9
PubChem CID
6478685
DTXSID
DTXSID501112946
ChEMBL
CHEMBL237760
UNII
0B5C0EG8E8
EC Number
642-332-4
Nikkaji
J2.135.783I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
82,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
7
Schwere Atome
24

Physikochemische Eigenschaften

Schmelzpunkt
105 · 105-106°C
Siedepunkt
540.4 · 540.4±50.0 °C(Predicted)
Dichte
1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
Chloroform (Sparingly), Methanol (Slightly, Sonicated)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Chemie und Industrie

Anwendungen

VerwendenDegradation product of Mycophenolate mofetil. EP Impurity E

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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